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Compound Detail

CHEMBL521005

HYPERXANTHONE E
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CC1(C)CCc2c(c(O)cc3oc4cc(O)cc(O)c4c(=O)c23)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL521005
Name HYPERXANTHONE E
Phase Preclinical
Structure Type MOL
InChI Key JXBWMJZDYVJVIV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
3.17
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16O6
MW 328.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 1.95

Activity Summary

IC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 5.4 5.4 4000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 4000.0 nM 5.4 Anti-inflammatory activity in mouse RAW264.7 cells assessed as inhibition of IFN... 24960143

Literature References

PubMed DOI Target Context # Activities
15568778 10.1021/np040024+ A549 1
15568778 10.1021/np040024+ MCF7 1
24960143 10.1021/np5003498 HepG2 1
24960143 10.1021/np5003498 MCF7 1
24960143 10.1021/np5003498 MDA-MB-231 1
24960143 10.1021/np5003498 ADMET 1
24960143 10.1021/np5003498 RAW264.7 1

Data from ChEMBL 36 via Core Engine